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CAS 2904-40-7 Bis(2-carboxyethyl) Isocyanurate molecular structure lightbox
CAS RN: 2904-40-7

Bis(2-carboxyethyl) Isocyanurate

Product Availability

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250525 100g In stock Inquiry
Batchno.20260210 25g In stock Inquiry
Batchno.20260113 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20251009 100g Out of stock Inquiry
Batchno.20250514 25g Out of stock Inquiry
Batchno.20250712 5g Out of stock Inquiry
  • Product code: SSC-131230
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2904-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

2904-40-7 / 3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid

Standard CAS: 2904-40-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2904-40-7
Multi CAS
Yes
Molecular Formula
C9H11N3O7
Molecular Weight
273.200000
Exact Mass
273.059700
InChI
InChI=1S/C9H11N3O7/c13-5(14)1-3-11-7(17)10-8(18)12(9(11)19)4-2-6(15)16/h1-4H2,(H,13,14)(H,15,16)(H,10,17,18)
InChIKey
JCUMQTAAEUDUPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
3
Molar refractivity
60.09
TPSA
151.46

LogP / Solubility

WLOGP
-2.35
MLOGP
-2.06
XLogP3
-1.8
Consensus LogP
-2.07
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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